BDBM50195236 CHEMBL3927609::US10287258, Example 1::US10669245, Example 1

SMILES: O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCCO1

InChI Key: InChIKey=FCRODBUNBQJNPU-SFTDATJTSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50195236   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50195236 (CHEMBL3927609 | US10287258, Example 1 | US10669245...) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCCO1 |r| Show InChI InChI=1S/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 59: 9457-9472 (2016) Article DOI: 10.1021/acs.jmedchem.6b01127 BindingDB Entry DOI: 10.7270/Q2Z321K4
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50195236 (CHEMBL3927609 | US10287258, Example 1 | US10669245...) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCCO1 |r| Show InChI InChI=1S/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED Curated by ChEMBL					Assay Description Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay				J Med Chem 59: 9457-9472 (2016) Article DOI: 10.1021/acs.jmedchem.6b01127 BindingDB Entry DOI: 10.7270/Q2Z321K4
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50195236 (CHEMBL3927609 | US10287258, Example 1 | US10669245...) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCCO1 |r| Show InChI InChI=1S/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35.5	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...				US Patent US10669245 (2020)
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50195236 (CHEMBL3927609 | US10287258, Example 1 | US10669245...) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCCO1 |r| Show InChI InChI=1S/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...				J Med Chem 51: 7049-52 (2008) BindingDB Entry DOI: 10.7270/Q2RJ4MTP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50195236 (CHEMBL3927609 | US10287258, Example 1 | US10669245...) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCCO1 |r| Show InChI InChI=1S/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay				J Med Chem 59: 9457-9472 (2016) Article DOI: 10.1021/acs.jmedchem.6b01127 BindingDB Entry DOI: 10.7270/Q2Z321K4
					More data for this Ligand-Target Pair